ccpn.AnalysisStructure.gui package

Module Documentation here

Subpackages

Submodules

ccpn.AnalysisStructure.gui.ProcessXplorStructureCalculationPopup module

Alpha version of a popup for processing a structure calculation using Xplor-NIH calculations.

class ccpn.AnalysisStructure.gui.ProcessXplorStructureCalculationPopup.ProcessXplorCalculationFolderPopup(parent=None, mainWindow=None, title='Process Xplor-NIH Structure Calculation (Alpha)', **kwds)[source]

Bases: ccpn.ui.gui.popups.Dialog.CcpnDialogMainWidget

Process the Xplor-NIH Structure calculation run by - performing a cleanup - creating an structure ensemble - (optionally) generating the violations nef file

FIXEDHEIGHT = False
FIXEDWIDTH = True
title = 'Process Xplor-NIH Structure Calculation (Alpha)'

ccpn.AnalysisStructure.gui.SetupXplorStructureCalcPopup module

Alpha version of a popup for setting up a structure calculation using Xplor-NIH calculations.

class ccpn.AnalysisStructure.gui.SetupXplorStructureCalcPopup.SetupXplorStructureCalculationPopup(parent=None, mainWindow=None, title='Setup Xplor_nih Structure Calculation (Alpha)', **kwds)[source]

Bases: ccpn.ui.gui.popups.Dialog.CcpnDialogMainWidget

Setup the Xplor calculation

FIXEDHEIGHT = False
FIXEDWIDTH = True
title = 'Setup Xplor_nih Structure Calculation (Alpha)'

ccpn.AnalysisStructure.gui.SplitAcceptedRejectedPeaksPopup module

Alpha version of a popup for setting up a structure calculation using Xplor-NIH calculations.

class ccpn.AnalysisStructure.gui.SplitAcceptedRejectedPeaksPopup.SplitAcceptedRejectedPeaksPopup(parent=None, mainWindow=None, title='Split PeakList to Accepted and Rejected Peaks (Alpha)', **kwds)[source]

Bases: ccpn.ui.gui.popups.Dialog.CcpnDialogMainWidget

FIXEDHEIGHT = False
FIXEDWIDTH = True
title = 'Split PeakList to Accepted and Rejected Peaks (Alpha)'
ccpn.AnalysisStructure.gui.SplitAcceptedRejectedPeaksPopup.rejectPeaks(peakList, peaksWithoutRestraints)[source]

Move rejected peaks, i.e. those without a restraint, to a new peakList :return the new PeakList instance

ccpn.AnalysisStructure.gui.importWWPDBdataPopup module

Alpha version of a popup for importing selected data from PDB XML reports.

class ccpn.AnalysisStructure.gui.importWWPDBdataPopup.ImportWWPDBdataPopup(parent=None, mainWindow=None, title='Import wwPDB data (Alpha)', **kwds)[source]

Bases: ccpn.ui.gui.popups.Dialog.CcpnDialogMainWidget

FIXEDHEIGHT = False
FIXEDWIDTH = True
title = 'Import wwPDB data (Alpha)'
ccpn.AnalysisStructure.gui.importWWPDBdataPopup.getRamachandranTable(xroot)[source]
ccpn.AnalysisStructure.gui.importWWPDBdataPopup.getSimpleRamachandranTable(xroot)[source]
ccpn.AnalysisStructure.gui.importWWPDBdataPopup.getSimpleViolationTable(xroot)[source]
ccpn.AnalysisStructure.gui.importWWPDBdataPopup.getViolationTable(xroot)[source]
ccpn.AnalysisStructure.gui.importWWPDBdataPopup.removeSpaces(txt)[source]